NP-MRD: Showing NP-Card for R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine (NP0023497)

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Record Information

Version

2.0

Created at

2021-01-06 08:34:32 UTC

Updated at

2021-07-15 17:41:54 UTC

NP-MRD ID

NP0023497

Secondary Accession Numbers

None

Natural Product Identification

Common Name

R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine

Provided By

NPAtlas

Description

2-[(1-Hydroxy-15-methyl-3-{[(4Z)-13-methyltetradec-4-enoyl]oxy}hexadecylidene)amino]acetic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine is found in Cytophaga. Based on a literature review very few articles have been published on 2-[(1-hydroxy-15-methyl-3-{[(4Z)-13-methyltetradec-4-enoyl]oxy}hexadecylidene)amino]acetic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042108183D          

103102  0  0  0  0            999 V2000
  -12.2650   -0.2627   -1.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9910    0.4161   -2.2558 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.1377    0.4575   -3.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9171    1.8459   -1.7692 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.8959    1.9487   -0.2744 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.7288    1.2443    0.3789 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.4518    1.8358   -0.1058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2207    1.2115    0.4906 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1654   -0.2355    0.1393 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9383   -0.9286    0.7184 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6695   -0.3591    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    0.1769    1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    0.2617    2.4842 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7637   -0.4993    3.2081 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4026   -0.0013    2.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    1.0479    3.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745   -0.6340    2.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7604   -0.1274    1.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7216    0.2110    0.2750 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9131    0.7673   -0.3905 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1333   -0.0554   -0.4810 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2739    0.6470   -1.1988 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7069    1.9239   -0.5444 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1730    1.7831    0.8462 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2846    0.8980    1.1898 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6471    1.0717    0.6892 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9518    0.9922   -0.7511 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4621    1.1661   -1.0095 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2899    0.1219   -0.3335 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7420    0.4075   -0.6833 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9383    0.3450   -2.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739   -0.5978   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -1.1523    2.2086 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5702   -2.4821    1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -2.7180    0.7621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717   -3.5453    1.8482 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382   -4.8417    1.2335 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4149   -4.7478   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -3.6095   -0.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -5.8272   -1.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4813   -1.1593   -2.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0984    0.4329   -1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1465   -0.6103   -0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0924   -0.1715   -2.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1974    0.5485   -4.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7665   -0.4743   -4.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5785    1.3229   -4.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0895    2.3559   -2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8595    2.3352   -2.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7656    3.0393   -0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8191    1.5985    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8258    0.1623    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8072    1.5021    1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3467    1.8232   -1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4512    2.9158    0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2069    1.3506    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2893    1.7437    0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0731   -0.7360    0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1036   -0.3013   -0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9499   -1.9966    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1125   -1.0406    1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4332   -0.3566   -0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7999    0.5729    0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7719    1.3640    2.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8559   -0.0180    2.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -1.5466    2.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9114   -0.3967    4.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816    0.8028    2.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852    0.8857    0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3814   -0.7213   -0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    0.9894   -1.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    1.8011    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5302   -0.5259    0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8771   -0.9196   -1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8937    0.9141   -2.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0911   -0.0649   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    2.6591   -0.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    2.4304   -1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4963    2.8401    1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228    1.6050    1.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9819   -0.1918    1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3866    0.8793    2.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2790    0.2754    1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1251    2.0244    1.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    0.0619   -1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5108    1.8360   -1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5606    1.0719   -2.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    2.1939   -0.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9680   -0.8710   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2247    0.2626    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0095    1.4008   -0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1289   -0.2851   -2.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8242    1.3862   -2.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9085   -0.1042   -2.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6837   -0.0929   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8261   -1.4988   -0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4037   -0.8000    0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3123   -1.3722    3.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281   -0.8379    2.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515   -3.3807    2.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -5.1932    1.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949   -5.5406    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628   -6.3363   -1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2 44  1  6  0  0  0
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  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5 50  1  0  0  0  0
  5 51  1  0  0  0  0
  6 52  1  0  0  0  0
  6 53  1  0  0  0  0
  7 54  1  0  0  0  0
  7 55  1  0  0  0  0
  8 56  1  0  0  0  0
  8 57  1  0  0  0  0
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  9 59  1  0  0  0  0
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 40103  1  0  0  0  0
M  END

     RDKit          3D

103102  0  0  0  0  0  0  0  0999 V2000
  -12.2650   -0.2627   -1.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9910    0.4161   -2.2558 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.1377    0.4575   -3.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9171    1.8459   -1.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8959    1.9487   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7288    1.2443    0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4518    1.8358   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2207    1.2115    0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1654   -0.2355    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9383   -0.9286    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6695   -0.3591    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    0.1769    1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    0.2617    2.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637   -0.4993    3.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -0.0013    2.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    1.0479    3.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745   -0.6340    2.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7604   -0.1274    1.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.2739    0.6470   -1.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    1.9239   -0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2899    0.1219   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420    0.4075   -0.6833 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9383    0.3450   -2.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739   -0.5978   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -1.1523    2.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702   -2.4821    1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -2.7180    0.7621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717   -3.5453    1.8482 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382   -4.8417    1.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -4.7478   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -3.6095   -0.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307042108183D          

103102  0  0  0  0            999 V2000
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 37101  1  0  0  0  0
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 40103  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0023497

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C34H63NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h14,18,29-31H,5-13,15-17,19-28H2,1-4H3,(H,35,36)(H,37,38)/b18-14-/t31-/m1/s1

> <INCHI_KEY>
IZIYPDPHWIMFEM-JXAWBTAJSA-N

> <FORMULA>
C34H63NO5

> <MOLECULAR_WEIGHT>
565.88

> <EXACT_MASS>
565.470624133

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
103

> <JCHEM_AVERAGE_POLARIZABILITY>
70.17468963569407

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(3R)-15-methyl-3-{[(4Z)-13-methyltetradec-4-enoyl]oxy}hexadecanamido]acetic acid

> <ALOGPS_LOGP>
8.72

> <JCHEM_LOGP>
10.164521579333336

> <ALOGPS_LOGS>
-7.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.681259794116247

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6531182191464917

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3917460916669513

> <JCHEM_POLAR_SURFACE_AREA>
92.7

> <JCHEM_REFRACTIVITY>
166.0058000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
29

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.54e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(3R)-15-methyl-3-{[(4Z)-13-methyltetradec-4-enoyl]oxy}hexadecanamido]acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

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 36100  1  0
 37101  1  0
 37102  1  0
 40103  1  0
M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0     -12.265  -0.263  -1.731  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.991   0.416  -2.256  0.00  0.00           C+0
HETATM    3  C   UNK     0     -11.138   0.458  -3.763  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.917   1.846  -1.769  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.896   1.949  -0.274  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.729   1.244   0.379  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.452   1.836  -0.106  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.221   1.212   0.491  0.00  0.00           C+0
HETATM    9  C   UNK     0      -7.165  -0.236   0.139  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.938  -0.929   0.718  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.670  -0.359   0.271  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.720   0.177   1.019  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.855   0.262   2.484  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.764  -0.499   3.208  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.403  -0.001   2.897  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.964   1.048   3.465  0.00  0.00           O+0
HETATM   17  O   UNK     0      -0.575  -0.634   2.005  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.760  -0.127   1.717  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.722   0.211   0.275  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.913   0.767  -0.391  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.133  -0.055  -0.481  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.274   0.647  -1.199  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.707   1.924  -0.544  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.173   1.783   0.846  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.285   0.898   1.190  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.647   1.072   0.689  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.952   0.992  -0.751  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.462   1.166  -1.010  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.290   0.122  -0.334  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.742   0.408  -0.683  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.938   0.345  -2.180  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.674  -0.598  -0.045  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.706  -1.152   2.209  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.570  -2.482   1.573  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.645  -2.718   0.762  0.00  0.00           O+0
HETATM   36  N   UNK     0       2.472  -3.545   1.848  0.00  0.00           N+0
HETATM   37  C   UNK     0       2.338  -4.842   1.234  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.415  -4.748  -0.227  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.579  -3.610  -0.783  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.320  -5.827  -1.077  0.00  0.00           O+0
HETATM   41  H   UNK     0     -12.481  -1.159  -2.353  0.00  0.00           H+0
HETATM   42  H   UNK     0     -13.098   0.433  -1.897  0.00  0.00           H+0
HETATM   43  H   UNK     0     -12.146  -0.610  -0.694  0.00  0.00           H+0
HETATM   44  H   UNK     0     -10.092  -0.172  -2.033  0.00  0.00           H+0
HETATM   45  H   UNK     0     -12.197   0.549  -4.063  0.00  0.00           H+0
HETATM   46  H   UNK     0     -10.767  -0.474  -4.247  0.00  0.00           H+0
HETATM   47  H   UNK     0     -10.579   1.323  -4.174  0.00  0.00           H+0
HETATM   48  H   UNK     0     -10.089   2.356  -2.262  0.00  0.00           H+0
HETATM   49  H   UNK     0     -11.860   2.335  -2.107  0.00  0.00           H+0
HETATM   50  H   UNK     0     -10.766   3.039  -0.036  0.00  0.00           H+0
HETATM   51  H   UNK     0     -11.819   1.599   0.194  0.00  0.00           H+0
HETATM   52  H   UNK     0      -9.826   0.162   0.324  0.00  0.00           H+0
HETATM   53  H   UNK     0      -9.807   1.502   1.477  0.00  0.00           H+0
HETATM   54  H   UNK     0      -8.347   1.823  -1.211  0.00  0.00           H+0
HETATM   55  H   UNK     0      -8.451   2.916   0.229  0.00  0.00           H+0
HETATM   56  H   UNK     0      -7.207   1.351   1.612  0.00  0.00           H+0
HETATM   57  H   UNK     0      -6.289   1.744   0.154  0.00  0.00           H+0
HETATM   58  H   UNK     0      -8.073  -0.736   0.532  0.00  0.00           H+0
HETATM   59  H   UNK     0      -7.104  -0.301  -0.982  0.00  0.00           H+0
HETATM   60  H   UNK     0      -5.950  -1.997   0.314  0.00  0.00           H+0
HETATM   61  H   UNK     0      -6.112  -1.041   1.776  0.00  0.00           H+0
HETATM   62  H   UNK     0      -4.433  -0.357  -0.820  0.00  0.00           H+0
HETATM   63  H   UNK     0      -2.800   0.573   0.544  0.00  0.00           H+0
HETATM   64  H   UNK     0      -3.772   1.364   2.759  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.856  -0.018   2.801  0.00  0.00           H+0
HETATM   66  H   UNK     0      -2.815  -1.547   2.843  0.00  0.00           H+0
HETATM   67  H   UNK     0      -2.911  -0.397   4.298  0.00  0.00           H+0
HETATM   68  H   UNK     0       0.882   0.803   2.362  0.00  0.00           H+0
HETATM   69  H   UNK     0      -0.185   0.886   0.135  0.00  0.00           H+0
HETATM   70  H   UNK     0       0.381  -0.721  -0.288  0.00  0.00           H+0
HETATM   71  H   UNK     0       1.600   0.989  -1.464  0.00  0.00           H+0
HETATM   72  H   UNK     0       2.100   1.801   0.011  0.00  0.00           H+0
HETATM   73  H   UNK     0       3.530  -0.526   0.402  0.00  0.00           H+0
HETATM   74  H   UNK     0       2.877  -0.920  -1.182  0.00  0.00           H+0
HETATM   75  H   UNK     0       3.894   0.914  -2.222  0.00  0.00           H+0
HETATM   76  H   UNK     0       5.091  -0.065  -1.297  0.00  0.00           H+0
HETATM   77  H   UNK     0       3.810   2.659  -0.587  0.00  0.00           H+0
HETATM   78  H   UNK     0       5.435   2.430  -1.177  0.00  0.00           H+0
HETATM   79  H   UNK     0       5.496   2.840   1.165  0.00  0.00           H+0
HETATM   80  H   UNK     0       4.323   1.605   1.571  0.00  0.00           H+0
HETATM   81  H   UNK     0       5.982  -0.192   1.009  0.00  0.00           H+0
HETATM   82  H   UNK     0       6.387   0.879   2.342  0.00  0.00           H+0
HETATM   83  H   UNK     0       8.279   0.275   1.195  0.00  0.00           H+0
HETATM   84  H   UNK     0       8.125   2.024   1.084  0.00  0.00           H+0
HETATM   85  H   UNK     0       7.663   0.062  -1.248  0.00  0.00           H+0
HETATM   86  H   UNK     0       7.511   1.836  -1.318  0.00  0.00           H+0
HETATM   87  H   UNK     0       9.561   1.072  -2.122  0.00  0.00           H+0
HETATM   88  H   UNK     0       9.726   2.194  -0.743  0.00  0.00           H+0
HETATM   89  H   UNK     0       9.968  -0.871  -0.645  0.00  0.00           H+0
HETATM   90  H   UNK     0      10.225   0.263   0.775  0.00  0.00           H+0
HETATM   91  H   UNK     0      12.009   1.401  -0.269  0.00  0.00           H+0
HETATM   92  H   UNK     0      11.129  -0.285  -2.586  0.00  0.00           H+0
HETATM   93  H   UNK     0      11.824   1.386  -2.570  0.00  0.00           H+0
HETATM   94  H   UNK     0      12.909  -0.104  -2.418  0.00  0.00           H+0
HETATM   95  H   UNK     0      13.684  -0.093  -0.004  0.00  0.00           H+0
HETATM   96  H   UNK     0      12.826  -1.499  -0.661  0.00  0.00           H+0
HETATM   97  H   UNK     0      12.404  -0.800   0.991  0.00  0.00           H+0
HETATM   98  H   UNK     0       1.312  -1.372   3.294  0.00  0.00           H+0
HETATM   99  H   UNK     0       2.728  -0.838   2.434  0.00  0.00           H+0
HETATM  100  H   UNK     0       3.252  -3.381   2.514  0.00  0.00           H+0
HETATM  101  H   UNK     0       1.298  -5.193   1.493  0.00  0.00           H+0
HETATM  102  H   UNK     0       3.095  -5.541   1.662  0.00  0.00           H+0
HETATM  103  H   UNK     0       1.463  -6.336  -1.264  0.00  0.00           H+0
CONECT    1    2   41   42   43                                             
CONECT    2    1    3    4   44                                             
CONECT    3    2   45   46   47                                             
CONECT    4    2    5   48   49                                             
CONECT    5    4    6   50   51                                             
CONECT    6    5    7   52   53                                             
CONECT    7    6    8   54   55                                             
CONECT    8    7    9   56   57                                             
CONECT    9    8   10   58   59                                             
CONECT   10    9   11   60   61                                             
CONECT   11   10   12   62                                                  
CONECT   12   11   13   63                                                  
CONECT   13   12   14   64   65                                             
CONECT   14   13   15   66   67                                             
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   33   68                                             
CONECT   19   18   20   69   70                                             
CONECT   20   19   21   71   72                                             
CONECT   21   20   22   73   74                                             
CONECT   22   21   23   75   76                                             
CONECT   23   22   24   77   78                                             
CONECT   24   23   25   79   80                                             
CONECT   25   24   26   81   82                                             
CONECT   26   25   27   83   84                                             
CONECT   27   26   28   85   86                                             
CONECT   28   27   29   87   88                                             
CONECT   29   28   30   89   90                                             
CONECT   30   29   31   32   91                                             
CONECT   31   30   92   93   94                                             
CONECT   32   30   95   96   97                                             
CONECT   33   18   34   98   99                                             
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37  100                                                  
CONECT   37   36   38  101  102                                             
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38  103                                                       
CONECT   41    1                                                            
CONECT   42    1                                                            
CONECT   43    1                                                            
CONECT   44    2                                                            
CONECT   45    3                                                            
CONECT   46    3                                                            
CONECT   47    3                                                            
CONECT   48    4                                                            
CONECT   49    4                                                            
CONECT   50    5                                                            
CONECT   51    5                                                            
CONECT   52    6                                                            
CONECT   53    6                                                            
CONECT   54    7                                                            
CONECT   55    7                                                            
CONECT   56    8                                                            
CONECT   57    8                                                            
CONECT   58    9                                                            
CONECT   59    9                                                            
CONECT   60   10                                                            
CONECT   61   10                                                            
CONECT   62   11                                                            
CONECT   63   12                                                            
CONECT   64   13                                                            
CONECT   65   13                                                            
CONECT   66   14                                                            
CONECT   67   14                                                            
CONECT   68   18                                                            
CONECT   69   19                                                            
CONECT   70   19                                                            
CONECT   71   20                                                            
CONECT   72   20                                                            
CONECT   73   21                                                            
CONECT   74   21                                                            
CONECT   75   22                                                            
CONECT   76   22                                                            
CONECT   77   23                                                            
CONECT   78   23                                                            
CONECT   79   24                                                            
CONECT   80   24                                                            
CONECT   81   25                                                            
CONECT   82   25                                                            
CONECT   83   26                                                            
CONECT   84   26                                                            
CONECT   85   27                                                            
CONECT   86   27                                                            
CONECT   87   28                                                            
CONECT   88   28                                                            
CONECT   89   29                                                            
CONECT   90   29                                                            
CONECT   91   30                                                            
CONECT   92   31                                                            
CONECT   93   31                                                            
CONECT   94   31                                                            
CONECT   95   32                                                            
CONECT   96   32                                                            
CONECT   97   32                                                            
CONECT   98   33                                                            
CONECT   99   33                                                            
CONECT  100   36                                                            
CONECT  101   37                                                            
CONECT  102   37                                                            
CONECT  103   40                                                            
MASTER        0    0    0    0    0    0    0    0  103    0  204    0
END

RDKit          3D

103102  0  0  0  0  0  0  0  0999 V2000
  -12.2650   -0.2627   -1.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9910    0.4161   -2.2558 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.1377    0.4575   -3.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9171    1.8459   -1.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8959    1.9487   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7288    1.2443    0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4518    1.8358   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2207    1.2115    0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1654   -0.2355    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9383   -0.9286    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6695   -0.3591    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202    0.1769    1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    0.2617    2.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637   -0.4993    3.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026   -0.0013    2.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9644    1.0479    3.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745   -0.6340    2.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7604   -0.1274    1.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7216    0.2110    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131    0.7673   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333   -0.0554   -0.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2739    0.6470   -1.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    1.9239   -0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1730    1.7831    0.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846    0.8980    1.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471    1.0717    0.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9518    0.9922   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4621    1.1661   -1.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2899    0.1219   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420    0.4075   -0.6833 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9383    0.3450   -2.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6739   -0.5978   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -1.1523    2.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702   -2.4821    1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6445   -2.7180    0.7621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717   -3.5453    1.8482 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382   -4.8417    1.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -4.7478   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5794   -3.6095   -0.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -5.8272   -1.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4813   -1.1593   -2.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0984    0.4329   -1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1465   -0.6103   -0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0924   -0.1715   -2.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1974    0.5485   -4.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7665   -0.4743   -4.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5785    1.3229   -4.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0895    2.3559   -2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8595    2.3352   -2.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7656    3.0393   -0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8191    1.5985    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8258    0.1623    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8072    1.5021    1.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3467    1.8232   -1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4512    2.9158    0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2069    1.3506    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2893    1.7437    0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0731   -0.7360    0.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1036   -0.3013   -0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9499   -1.9966    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1125   -1.0406    1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4332   -0.3566   -0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6837   -0.0929   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8261   -1.4988   -0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4037   -0.8000    0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
2-[(1-Hydroxy-15-methyl-3-{[(4Z)-13-methyltetradec-4-enoyl]oxy}hexadecylidene)amino]acetate	Generator

Chemical Formula

C₃₄H₆₃NO₅

Average Mass

565.8800 Da

Monoisotopic Mass

565.47062 Da

IUPAC Name

2-[(3R)-15-methyl-3-{[(4Z)-13-methyltetradec-4-enoyl]oxy}hexadecanamido]acetic acid

Traditional Name

[(3R)-15-methyl-3-{[(4Z)-13-methyltetradec-4-enoyl]oxy}hexadecanamido]acetic acid

CAS Registry Number

Not Available

SMILES

CC(C)CCCCCCCCCCCC(CC(=O)NCC(O)=O)OC(=O)CC\C=C/CCCCCCCC(C)C

InChI Identifier

InChI=1S/C34H63NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h14,18,29-31H,5-13,15-17,19-28H2,1-4H3,(H,35,36)(H,37,38)/b18-14-

InChI Key

IZIYPDPHWIMFEM-JXAWBTAJSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cytophaga	NPAtlas	9268000

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Substituents

N-acyl-alpha-amino acid
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid ester
Carboxylic acid
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	8.72	ALOGPS
logP	10.16	ChemAxon
logS	-7.4	ALOGPS
pKa (Strongest Acidic)	3.65	ChemAxon
pKa (Strongest Basic)	-2.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	92.7 Å²	ChemAxon
Rotatable Bond Count	29	ChemAxon
Refractivity	166.01 m³·mol⁻¹	ChemAxon
Polarizability	70.17 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA002787

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8613328

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10437905

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine (NP0023497)

MOL for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

3D MOL for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

3D SDF for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

3D-SDF for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

PDB for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

3D PDB for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

SMILES for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

INCHI for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

Structure for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)

3D Structure for NP0023497 (R-(+)-N-[15-methyl-3-(13-methyl-4Z-tetradecenoyloxy)-hexadecanoyl]glycine)